SCHEMBL30170533

SCHEMBL30170533

C=CCc1ccc(-c2cc(CC=C)cc(OC)c2O)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.74
TNKS2 Q9H2K2 2/20 0.74
ALOX5 P09917 5/20 0.63
ALDH1A1 P00352 4/20 0.63
PTGS1 P23219 2/20 0.63
CYP3A4 P08684 1/20 0.63
AR P10275 1/20 0.63
TRPM8 Q7Z2W7 1/20 0.63
GABRA1 P14867 8/20 0.61
GABRB2 P47870 8/20 0.61
PPARG P37231 2/20 0.59
PPARD Q03181 2/20 0.59
PPARA Q07869 2/20 0.59
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
PARP1 P09874 1/20 0.54
CNR2 P34972 3/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29448062 0.91 TNKS2 (0.88) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL5320878 0.91 TNKS2 (0.88) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL18838050 0.90 GABRA1 (0.76) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL24161890 0.85 TNKS (1.00) TNKSTNKS2ALOX5ALDH1A1PTGS1
Methoxyeugenol SCHEMBL293977 0.82 TNKS (0.73) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL6323578 0.81 ALOX5 (0.66) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL28531064 0.81 ALOX5 (0.57) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL20148336 0.80 TNKS2 (0.70) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL6323580 0.79 ALOX5 (0.63) TNKSTNKS2ALOX5ALDH1A1PTGS1
SCHEMBL29752004 0.79 ALDH1A1 (0.69) TNKSTNKS2ALOX5ALDH1A1PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4125778-A1 OIL-IN-WATER EMULSION COMPRISING A SOLID LIPID MATERIAL Firmenich SA (CH) 2023-02-08 EP disclosed